SCHEMBL11545586

SCHEMBL11545586

CC1Cc2sccc2CN1Cc1cc([N+](=O)[O-])ccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.46
▸ NOX4 Q9NPH5 1/20 0.40
▸ PITRM1 Q5JRX3 2/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ GPR35 Q9HC97 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ TNF P01375 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ NOD2 Q9HC29 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11545784 0.77 CTSB (0.57) CTSBNOX4KDM4EALDH1A1LMNA
SCHEMBL11545045 0.75 CTSB (0.57) CTSBNOX4KDM4EALDH1A1LMNA
SCHEMBL25197942 0.73 CTSB (0.51) CTSBNOX4PITRM1HIF1AKDM4E
SCHEMBL25416781 0.70 CTSB (0.71) CTSBNOX4HIF1AKDM4EMAPT
SCHEMBL25188234 0.69 CTSB (0.61) CTSBNOX4PITRM1HIF1AKDM4E
SCHEMBL25193605 0.69 CTSB (0.61) CTSBNOX4PITRM1HIF1AKDM4E
SCHEMBL25191957 0.69 CTSB (0.61) CTSBNOX4PITRM1HIF1AKDM4E
SCHEMBL13690792 0.68 CTSB (0.51) CTSBNOX4PITRM1HIF1AKDM4E
SCHEMBL4231830 0.66 ALDH1A1 (0.58) CTSBNOX4MAPTALDH1A1SMN1; SMN2
SCHEMBL25195450 0.65 CTSB (0.60) CTSBNOX4PITRM1HIF1AKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4163852-A Process for the preparation of tetrahydro-thieno[3,2-c]- and [2,3-c]pyridine derivatives PARCOR (FR) 1979-08-07 — — US disclosed
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